2-(benzylcarbamoylamino)acetic acid

C10H12N2O3 — CID 9115257

IUPAC2-(benzylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NCc1ccccc1
InChIInChI=1S/C10H12N2O3/c13-9(14)7-12-10(15)11-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H2,11,12,15)
InChIKeyLMIKEWSJMTUEKM-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.57
Rot. Bonds4

About 2-(benzylcarbamoylamino)acetic acid

2-(benzylcarbamoylamino)acetic acid (PubChem CID 9115257) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)acetic acid
PubChem CID9115257
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(benzylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NCc1ccccc1
InChIInChI=1S/C10H12N2O3/c13-9(14)7-12-10(15)11-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H2,11,12,15)
InChIKeyLMIKEWSJMTUEKM-UHFFFAOYSA-N
XLogP0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)acetic acid?
The IUPAC name of 2-(benzylcarbamoylamino)acetic acid (CID 9115257) is 2-(benzylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(benzylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(benzylcarbamoylamino)acetic acid is O=C(O)CNC(=O)NCc1ccccc1.
What is the InChIKey of 2-(benzylcarbamoylamino)acetic acid?
The InChIKey is LMIKEWSJMTUEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-9(14)7-12-10(15)11-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(benzylcarbamoylamino)acetic acid?
2-(benzylcarbamoylamino)acetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)acetic acid is sourced from PubChem (CID 9115257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).